SCHEMBL4480246

SCHEMBL4480246

COc1cnc2cccc(C(C)=O)c2n1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.49
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
ATM Q13315 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
LMNA P02545 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30753385 0.88 ALDH1A1 (0.53) PARP1KMT2AMEN1MTNR1AMTNR1B
SCHEMBL15228669 0.83 HTT (0.55) PARP1KMT2AMEN1ATMSMN1; SMN2
SCHEMBL4495592 0.83 PARP1 (0.45) PARP1KMT2AMEN1MTNR1AMTNR1B
SCHEMBL4474754 0.83 PARP1 (0.45) PARP1KMT2AMEN1MTNR1AMTNR1B
SCHEMBL26523318 0.80 PARP1 (0.43) PARP1KMT2AKDM4EGAAATM
SCHEMBL15228747 0.78 PARP1 (0.43) PARP1KMT2AKDM4EGAAATM
SCHEMBL3581533 0.78 ACHE (0.52) PARP1KMT2AKDM4EGAASMN1; SMN2
SCHEMBL592684 0.77 MEN1 (0.46) PARP1KMT2AMEN1MTNR1AMTNR1B
SCHEMBL14400280 0.76 NPC1 (0.41) PARP1KMT2AMEN1MTNR1AMTNR1B
SCHEMBL22559322 0.76 MTNR1A (0.55) PARP1MTNR1AMTNR1B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7498326-B2 Compounds GLAXO GROUP LIMITED (GB) 2009-03-03 US disclosed
US-20060058287-A1 Gramnegative and Grampositive bacterial infections; substituted Piperidine derivatives specially optionally substituted pyrido [3,2, -b][1,4] thiazin-yl; 6-({(3R,4S)-3-Fluoro-1-[(R)-2-hydroxy-2-(2-methoxy-quinolin-8-yl)-ethyl]-piperidin-4-ylamino }-methyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one; nontoxic GLAXO GROUP LIMITED (GB) 2006-03-16 US disclosed
EP-1583537-A3 PIPERIDINE COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2005-12-14 EP disclosed
EP-1583537-A2 PIPERIDINE COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2005-10-12 EP disclosed
WO-2004002490-A2 PIPERIDINE COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2004-01-08 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060058287-A1 Gramnegative and Grampositive bacterial infections; substituted Piperidine derivatives specially optionally substituted pyrido [3,2, -b][1,4] thiazin-yl; 6-({(3R,4S)-3-Fluoro-1-[(R)-2-hydroxy-2-(2-methoxy-quinolin-8-yl)-ethyl]-piperidin-4-ylamino }-methyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one; nontoxic TLR1, TLR2, TLR6 PARP1 157/4885KMT2A 1177/4885MEN1 3625/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.